Geometry & MOs

Info

ID:	238547
PubChem CID:	92741855
Reduced:	FN4O4C27H35 (1)
Stoich.:	AB4C4D27E35 (1)
Weight, g/mol:	486.263091
ΔH_f, kcal/mol:	-217.14
Dipole, Da:	9.24
IP(EA), eV:	-8.14(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-10-acetamido-2-benzyl-N-cycloheptyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C(=O)N([C@@](CN2C3=C1C=C(C=C3)F)(C)C(=O)NC4CCCCCC4)C[C@H]5CCCO5

DOS

IR

Vibrations